SIMULASI DINAMIKA MOLEKULER ACTINIUM(III) DALAM AIR DENGAN PENDEKATAN GAYA HYBRID AB INITIO QM/MM; MOLECULAR DYNAMICS SIMULATIONS OF ACTINIUM(III) ON WATER : A HYBRID AB INITIO QM/MM FORCES APPROACH

Muhammad Saleh, Ria Armunanto

2014 | Disertasi | PROGRAM STUDI S2 KIMIA

A molecular dynamics simulation using ab initio hybrid QM/MM forces has been performed to investigate structure and dynamics of

Kata Kunci : QM/MM, solvation,